3-methyl-7-octyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-3-methyl-7-octyl-xanthine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H36N6O2/c1-3-4-5-6-7-11-14-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-17-15-29(16-18-30)19-20-12-9-8-10-13-20/h8-10,12-13H,3-7,11,14-19H2,1-2H3,(H,27,32,33)